2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid

C12H12O4 — CID 19784032

IUPAC2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid
SMILESO=C(O)COC(=O)C1CCc2ccccc21
InChIInChI=1S/C12H12O4/c13-11(14)7-16-12(15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyOXSZFPONEVALAI-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.34
Rot. Bonds3

About 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid

2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid (PubChem CID 19784032) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid
PubChem CID19784032
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid
SMILESO=C(O)COC(=O)C1CCc2ccccc21
InChIInChI=1S/C12H12O4/c13-11(14)7-16-12(15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyOXSZFPONEVALAI-UHFFFAOYSA-N
XLogP1.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-Carboxyfluorene
CID 74809
1H-Indene-1-carboxylic acid, 2,3-dihydro-
CID 85728
2-Indancarboxylic Acid
CID 575777
1-Indanacetic acid
CID 96501
(1R)-2,3-Dihydro-1H-indene-1-carboxylic acid
CID 12332876
methyl 9H-fluorene-9-carboxylate
CID 232396
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
2-(2,3-dihydro-1H-inden-2-yl)acetic Acid
CID 5174955
2-(carboxymethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 273866
Phenylacetoxyacetic acid
CID 54446597
alpha-Phenyltetrahydrofuranone-2-gamma-carboxylic acid
CID 99776
6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 25023574

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid (CID 19784032) is 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid is O=C(O)COC(=O)C1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid?
The InChIKey is OXSZFPONEVALAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-11(14)7-16-12(15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid?
2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid has a molecular weight of 220.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-1-carbonyloxy)acetic acid is sourced from PubChem (CID 19784032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).